2-phenyloxan-4-ol

C11H14O2 — CID 10329884

IUPAC2-phenyloxan-4-ol
SMILESOC1CCOC(c2ccccc2)C1
InChIInChI=1S/C11H14O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKeyVPXLNWRTGPPGRS-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.90
Rot. Bonds1

About 2-phenyloxan-4-ol

2-phenyloxan-4-ol (PubChem CID 10329884) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-phenyloxan-4-ol.

Molecular Properties

Compound Name2-phenyloxan-4-ol
PubChem CID10329884
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-phenyloxan-4-ol
SMILESOC1CCOC(c2ccccc2)C1
InChIInChI=1S/C11H14O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKeyVPXLNWRTGPPGRS-UHFFFAOYSA-N
XLogP1.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Styrene Oxide
CID 7276
1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
Benzhydrol
CID 7037
1-Phenyl-1,2-ethanediol
CID 7149
(S)-styrene oxide
CID 114946
1-Phenylethanol, (R)-
CID 637516
1-Phenylethanol, (S)-
CID 443135
2-(Benzyloxy) ethanol
CID 12141
(+)-Styrene oxide
CID 114705
1,3-Dioxan-5-ol, 2-phenyl-
CID 74362

Frequently Asked Questions

What is the IUPAC name of 2-phenyloxan-4-ol?
The IUPAC name of 2-phenyloxan-4-ol (CID 10329884) is 2-phenyloxan-4-ol.
What is the SMILES notation for 2-phenyloxan-4-ol?
The canonical SMILES for 2-phenyloxan-4-ol is OC1CCOC(c2ccccc2)C1.
What is the InChIKey of 2-phenyloxan-4-ol?
The InChIKey is VPXLNWRTGPPGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2.
What are the key properties of 2-phenyloxan-4-ol?
2-phenyloxan-4-ol has a molecular weight of 178.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyloxan-4-ol is sourced from PubChem (CID 10329884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).